2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methylpropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153181-50-1- Standard SMILES
CC(C)CN1C(=O)N(CC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
FTNYZEKSGWZDIC-XPGKHFPBSA-N- Molecular formula
- C27H38N2O3
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.28824308
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methylpropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
Names & synonyms
153181-50-12H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methylpropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-CHEMBL86874(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-oneDMPC Cyclic Urea 71BDBM91DTXSID40165248(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diisobutyl-1,3-diazepan-2-one
Database identifiers
- CAS
153181-50-1- PubChem CID
- 463330
- DTXSID
DTXSID40165248- ChEMBL
CHEMBL86874- Nikkaji
- J775.021H
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 521
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Related reactions
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Compound notes
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